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  <div class="section" id="introduction">
<h1>Introduction<a class="headerlink" href="#introduction" title="Permalink to this headline">¶</a></h1>
<p>The dislocation_SDVPN calculation style predicts a dislocation’s planar
spreading using the semidiscrete variational Peierls-Nabarro method. The
solution finds the disregistry (difference in displacement above and
below the slip plane) that minimizes the dislocation’s energy. The
energy term consists of two primary components: an elastic component due
to the dislocation interacting with itself, and a misfit component
arising from the formation of a generalized stacking fault along the
dislocation’s spreading.</p>
<div class="section" id="version-notes">
<h2>Version notes<a class="headerlink" href="#version-notes" title="Permalink to this headline">¶</a></h2>
<ul class="simple">
<li><p>2018-09-25: Notebook added</p></li>
<li><p>2019-07-30: Notebook setup and parameters changed.</p></li>
<li><p>2020-09-22: Notebook updated to reflect changes in the calculation
method due to updates in atomman’s Volterra class solution
generators. Setup and parameter definitiions streamlined.</p></li>
</ul>
</div>
<div class="section" id="additional-dependencies">
<h2>Additional dependencies<a class="headerlink" href="#additional-dependencies" title="Permalink to this headline">¶</a></h2>
</div>
<div class="section" id="disclaimers">
<h2>Disclaimers<a class="headerlink" href="#disclaimers" title="Permalink to this headline">¶</a></h2>
<ul class="simple">
<li><p><a class="reference external" href="http://www.nist.gov/public_affairs/disclaimer.cfm">NIST
disclaimers</a></p></li>
<li><p>The calculation method solves the problem using a 2D generalized
stacking fault energy map. Better results may be possible by
measuring a full 3D map, but that would require adding a new
calculation for the 3D variation.</p></li>
<li><p>The implemented method is suited for dislocations with planar
spreading. It is not suited for dislocations that spread on multiple
atomic planes, like the a/2&lt;111&gt; bcc screw dislocation.</p></li>
<li><p>While the solution is taken at discrete points that (typically)
correspond to atomic sites, the underlying method is still a
continuum solution that does not fully account for the atomic nature
of the dislocation.</p></li>
</ul>
</div>
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  <h3><a href="../../index.html">Table of Contents</a></h3>
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<li><a class="reference internal" href="#">Introduction</a><ul>
<li><a class="reference internal" href="#version-notes">Version notes</a></li>
<li><a class="reference internal" href="#additional-dependencies">Additional dependencies</a></li>
<li><a class="reference internal" href="#disclaimers">Disclaimers</a></li>
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